Vitas-M small molecule compound
ethyl (1R,2S,3S)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-(furan-2-yl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Catalog ID
STK546065
SMILES CCOC(=O)[C@]1(C#N)[C@H](c2ccco2)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H22ClN3O4 MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4/c1-2-34-26(33)27(16-29)22(21-8-5-15-35-21)23(25(32)30-19-11-9-18(28)10-12-19)31-14-13-17-6-3-4-7-20(17)24(27)31/h3-15,22-24H,2H2,1H3,(H,30,32)/t22-,23+,24?,27-/m1/s1InChIKey
JFTWDQXPGVUWLA-SCTDMFTHSA-NSynonyms
1014081-54-9(1R2S3S)ethyl3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
1014081549
CCOC(=O)(C@)1(C#N)(C@H)(c2ccco2)(C@H)(N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
CCOC(=O)C1(C(C(N2C1C3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CO5)C#N
ethyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
ethyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
InChI=1SC27H22ClN3O4c123426(33)27(1629)22(2185153521)23(25(32)301911918(28)101219)31141317634720(17)24(27)31h3152224H2H21H3(H3032)t2223+24?27m1s1
MFCD18242263
ZINC000035369311
ZINC000035369313
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.